Action: WRAPAROUND
| Module | generic |
|---|---|
| Description | Usage |
| Rebuild periodic boundary conditions around chosen atoms. |   |
| This action outputs data to a file. You can read more about how PLUMED manages output files here |
Input
The atoms that serve as the input for this action are specified using one or more of the keywords in the following table.
| Keyword | Type | Description |
|---|---|---|
| AROUND | atoms | reference atoms |
| ATOMS | atoms | wrapped atoms |
Further details and examples
Text from manual goes here
Syntax
The following table describes the keywords and options that can be used with this action
| Keyword | Type | Default | Description |
|---|---|---|---|
| AROUND | input | none | reference atoms |
| ATOMS | input | none | wrapped atoms |
| STRIDE | compulsory | 1 | the frequency with which molecules are reassembled |
| GROUPBY | compulsory | 1 | group atoms so as not to break molecules |
| PAIR | optional | false | Pair atoms in AROUND and ATOMS groups |